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3-[2-Benzoyl-3-(2-pyridylamino)propyl]-4-hydroxy-6-methylpyran-2-one
SpectraBase Compound ID D2MGThwRUe
InChI InChI=1S/C21H20N2O4/c1-14-11-18(24)17(21(26)27-14)12-16(13-23-19-9-5-6-10-22-19)20(25)15-7-3-2-4-8-15/h2-11,16,24H,12-13H2,1H3,(H,22,23)
InChIKey ZTZQHXCZGGTFJA-UHFFFAOYSA-N
Mol Weight 364.4 g/mol
Molecular Formula C21H20N2O4
Exact Mass 364.142307 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EFvDetc2Nzi
Name 3-[2-Benzoyl-3-(2-pyridylamino)propyl]-4-hydroxy-6-methylpyran-2-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 364.142307128 u
Formula C21H20N2O4
InChI InChI=1S/C21H20N2O4/c1-14-11-18(24)17(21(26)27-14)12-16(13-23-19-9-5-6-10-22-19)20(25)15-7-3-2-4-8-15/h2-11,16,24H,12-13H2,1H3,(H,22,23)
InChIKey ZTZQHXCZGGTFJA-UHFFFAOYSA-N
Molecular Weight 364.401 g/mol
SMILES C=1(C(OC(=CC1O)C)=O)CC(C(=O)C1=CC=CC=C1)CNC1=NC=CC=C1